N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide

C11H13N5O3S — CID 61130907

IUPACN-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNS(=O)(=O)c1ccccc1NC(=O)CCn1cncn1
InChIInChI=1S/C11H13N5O3S/c12-20(18,19)10-4-2-1-3-9(10)15-11(17)5-6-16-8-13-7-14-16/h1-4,7-8H,5-6H2,(H,15,17)(H2,12,18,19)
InChIKeyILXQXSJGPITQJE-UHFFFAOYSA-N
MW295.32 g/mol
LogP-0.05
Rot. Bonds5

About N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 61130907) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID61130907
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC NameN-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNS(=O)(=O)c1ccccc1NC(=O)CCn1cncn1
InChIInChI=1S/C11H13N5O3S/c12-20(18,19)10-4-2-1-3-9(10)15-11(17)5-6-16-8-13-7-14-16/h1-4,7-8H,5-6H2,(H,15,17)(H2,12,18,19)
InChIKeyILXQXSJGPITQJE-UHFFFAOYSA-N
XLogP-0.05
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47137005
N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 60709326
3-amino-N-(2-sulfamoylphenyl)propanamide
CID 10705385
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 60802050
4-oxo-4-(2-sulfamoylanilino)butanoic acid
CID 61129519
N-[4-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676944
N-(5-fluoro-2-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61130568
N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 24653404
N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 16793646
N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24669397
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47017047
N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676210

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 61130907) is N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide is NS(=O)(=O)c1ccccc1NC(=O)CCn1cncn1.
What is the InChIKey of N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is ILXQXSJGPITQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c12-20(18,19)10-4-2-1-3-9(10)15-11(17)5-6-16-8-13-7-14-16/h1-4,7-8H,5-6H2,(H,15,17)(H2,12,18,19).
What are the key properties of N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 295.32 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 61130907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).